tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate

C18H28N2O2 — CID 103790111

IUPACtert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
SMILESCc1ccc([C@@H](C)NC2CC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C18H28N2O2/c1-12-6-8-14(9-7-12)13(2)19-15-10-16(11-15)20-17(21)22-18(3,4)5/h6-9,13,15-16,19H,10-11H2,1-5H3,(H,20,21)/t13-,15?,16?/m1/s1
InChIKeyIFIBPKUUPXUPEF-IUDNXUCKSA-N
MW304.43 g/mol
LogP3.70
Rot. Bonds4

About tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate

tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate (PubChem CID 103790111) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
PubChem CID103790111
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
SMILESCc1ccc([C@@H](C)NC2CC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C18H28N2O2/c1-12-6-8-14(9-7-12)13(2)19-15-10-16(11-15)20-17(21)22-18(3,4)5/h6-9,13,15-16,19H,10-11H2,1-5H3,(H,20,21)/t13-,15?,16?/m1/s1
InChIKeyIFIBPKUUPXUPEF-IUDNXUCKSA-N
XLogP3.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
CID 113263051
tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239164
tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239026
tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103791631
tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate
CID 107239119
tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate
CID 107238841
tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate
CID 107253415
tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate
CID 107354580
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
tert-butyl N-[(1S,3S,4S)-3-hydroxy-4-[[(1S)-1-phenylethyl]amino]cyclohexyl]carbamate
CID 126613815

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate (CID 103790111) is tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate is Cc1ccc([C@@H](C)NC2CC(NC(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate?
The InChIKey is IFIBPKUUPXUPEF-IUDNXUCKSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12-6-8-14(9-7-12)13(2)19-15-10-16(11-15)20-17(21)22-18(3,4)5/h6-9,13,15-16,19H,10-11H2,1-5H3,(H,20,21)/t13-,15?,16?/m1/s1.
What are the key properties of tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate?
tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 103790111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).